Compound Detail
CHEMBL2170611
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Basic Information
| ChEMBL ID | CHEMBL2170611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVEWYIHFSHLKRL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.36
ALogP
3
HBA
3
HBD
99.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 8.3 | 7.925 | 5.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change afte... | 22803959 |
| Sodium/hydrogen exchanger 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propio... | 22803959 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human ERG expressed in HEK 293 cells by PatchXpress assay | 22803959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22803959 | 10.1021/jm300601d | Sodium/hydrogen exchanger 1 | 2 |
| 22803959 | 10.1021/jm300601d | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine